2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(2-prop-2-enylsulfanylphenyl)isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(2-prop-2-enylsulfanylphenyl)isoindole-5-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-1,3-dioxo-N-[2-(prop-2-enylthio)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-1,3-dioxo-N-(2-prop-2-enylsulfanylphenyl)isoindole-5-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1,3-diketo-2-(o-tolyl)isoindoline-5-carboxamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4SCC=C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4SCC=C

InChI

InChI=1S/C25H20N2O3S/c1-3-14-31-22-11-7-5-9-20(22)26-23(28)17-12-13-18-19(15-17)25(30)27(24(18)29)21-10-6-4-8-16(21)2/h3-13,15H,1,14H2,2H3,(H,26,28)